(2S)-2-Amino-4-[[(2S,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methylsulfanyl]Butanoic Acid

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Formula C14H20N6O5S
IUPAC Name (2s)-2-amino-4-[[(2s,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]butanoic acid
Molecular Mass 384.411 g·mol−1
Heat of Formation -638.9 ± 16.7 kJ·mol−1
Dipole Moment 3.94 ± 1.08 D
Volume 425.99 Å 3
Surface Area 378.97 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
InChIKey VMFJXXDSIWLSJN-WFMPWKQPSA-O
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